3-(aminomethyl)-1-(1-cyclohexylpyrazol-3-yl)-4-methylpentan-2-ol

C16H29N3O — CID 107443067

IUPAC3-(aminomethyl)-1-(1-cyclohexylpyrazol-3-yl)-4-methylpentan-2-ol
SMILESCC(C)C(CN)C(O)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C16H29N3O/c1-12(2)15(11-17)16(20)10-13-8-9-19(18-13)14-6-4-3-5-7-14/h8-9,12,14-16,20H,3-7,10-11,17H2,1-2H3
InChIKeyPWGOOHOVVPXWRZ-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.52
Rot. Bonds6

About 3-(aminomethyl)-1-(1-cyclohexylpyrazol-3-yl)-4-methylpentan-2-ol

3-(aminomethyl)-1-(1-cyclohexylpyrazol-3-yl)-4-methylpentan-2-ol (PubChem CID 107443067) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(1-cyclohexylpyrazol-3-yl)-4-methylpentan-2-ol.

Molecular Properties

Compound Name3-(aminomethyl)-1-(1-cyclohexylpyrazol-3-yl)-4-methylpentan-2-ol
PubChem CID107443067
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name3-(aminomethyl)-1-(1-cyclohexylpyrazol-3-yl)-4-methylpentan-2-ol
SMILESCC(C)C(CN)C(O)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C16H29N3O/c1-12(2)15(11-17)16(20)10-13-8-9-19(18-13)14-6-4-3-5-7-14/h8-9,12,14-16,20H,3-7,10-11,17H2,1-2H3
InChIKeyPWGOOHOVVPXWRZ-UHFFFAOYSA-N
XLogP2.52
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylbutan-1-amine
CID 64778280
1-(1-cyclopentylpyrazol-3-yl)-4-methylpentane-2,3-diol
CID 103456685
3-(1-cyclopentylpyrazol-3-yl)-2-fluoropropan-1-amine
CID 112562613
1-(1-cyclohexylpyrazol-3-yl)-3-methoxybutan-2-ol
CID 79616778
3-(1-cyclopentylpyrazol-3-yl)-1,1-diethoxypropan-2-ol
CID 79495174
4-(1-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine
CID 81013541
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485
4-(1-cyclohexylpyrazol-3-yl)-3-methylbutan-2-one
CID 64784583
1-(1-cyclohexylpyrazol-3-yl)-3-propan-2-yloxypropan-2-ol
CID 105102471
2-cyclopentyl-3-(1-cyclopentylpyrazol-3-yl)propan-1-amine
CID 112569583
3-(4-bromo-2-methylpentyl)-1-cyclohexylpyrazole
CID 64778967
N-[3-(1-cyclohexylpyrazol-3-yl)-2-methylpropyl]cyclobutanamine
CID 114899185

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(1-cyclohexylpyrazol-3-yl)-4-methylpentan-2-ol?
The IUPAC name of 3-(aminomethyl)-1-(1-cyclohexylpyrazol-3-yl)-4-methylpentan-2-ol (CID 107443067) is 3-(aminomethyl)-1-(1-cyclohexylpyrazol-3-yl)-4-methylpentan-2-ol.
What is the SMILES notation for 3-(aminomethyl)-1-(1-cyclohexylpyrazol-3-yl)-4-methylpentan-2-ol?
The canonical SMILES for 3-(aminomethyl)-1-(1-cyclohexylpyrazol-3-yl)-4-methylpentan-2-ol is CC(C)C(CN)C(O)Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 3-(aminomethyl)-1-(1-cyclohexylpyrazol-3-yl)-4-methylpentan-2-ol?
The InChIKey is PWGOOHOVVPXWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-12(2)15(11-17)16(20)10-13-8-9-19(18-13)14-6-4-3-5-7-14/h8-9,12,14-16,20H,3-7,10-11,17H2,1-2H3.
What are the key properties of 3-(aminomethyl)-1-(1-cyclohexylpyrazol-3-yl)-4-methylpentan-2-ol?
3-(aminomethyl)-1-(1-cyclohexylpyrazol-3-yl)-4-methylpentan-2-ol has a molecular weight of 279.43 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(1-cyclohexylpyrazol-3-yl)-4-methylpentan-2-ol is sourced from PubChem (CID 107443067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).